N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide

C24H23FN4O4S2 — CID 23592265

About N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide

N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 23592265) has the molecular formula C24H23FN4O4S2 and a molecular weight of 514.60 g/mol. Its IUPAC name is N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide
• PubChem CID: 23592265
• Molecular Formula: C24H23FN4O4S2
• Molecular Weight: 514.60 g/mol
• Exact Mass: 514.11
• IUPAC Name: N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide
• SMILES: CC1(CNS(=O)(=O)c2cccs2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1
• InChI: InChI=1S/C24H23FN4O4S2/c1-24(13-27-35(30,31)19-3-2-12-34-19)14-32-23(33-15-24)22-28-20(16-4-6-18(25)7-5-16)21(29-22)17-8-10-26-11-9-17/h2-12,23,27H,13-15H2,1H3,(H,28,29)
• InChIKey: UXGBJVRSOYRURT-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.60
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide?

The IUPAC name of N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide (CID 23592265) is N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide is CC1(CNS(=O)(=O)c2cccs2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1.

What is the InChIKey of N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide?

The InChIKey is UXGBJVRSOYRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S2/c1-24(13-27-35(30,31)19-3-2-12-34-19)14-32-23(33-15-24)22-28-20(16-4-6-18(25)7-5-16)21(29-22)17-8-10-26-11-9-17/h2-12,23,27H,13-15H2,1H3,(H,28,29).

What are the key properties of N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide?

N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 514.60 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23592265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).